Molecule

ID:733

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
InChIKey
ZGXJTSGNIOSYLO-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)CCC(=O)O
Isomeric Smiles
O=C(CCC(=O)O)CN
Calculated Properties
JChem
LogD (pH = 7.4)
-3.37
LogD (pH = 5.5)
-3.26
Log P
-3.25
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.05
Polar Surface Area
80.39
Polarizability
12.56
Molar Refractivity
30.45
LOG S
0.56
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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